SCHEMBL6702333

SCHEMBL6702333

COC(=O)Cn1c(C(=O)O)cc2cc(C)c(C)cc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.47
CCR2 P41597 5/20 0.43
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR9 P51686 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7677561 0.85 GPR35 (0.44) GPR35CCR2KDM4EALDH1A1CCR9
SCHEMBL6703456 0.83 GPR35 (0.51) GPR35CCR2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL2476665 0.79 CCR2 (0.60) CCR2KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL6703464 0.79 KDM4E (0.62) CCR2KDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6703975 0.78 ALDH1A1 (0.42) GPR35CCR2KDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9085791 0.78 ALDH1A1 (0.59) CCR2KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL6742117 0.78 GAA (0.51) GPR35CCR2KDM4EMAPT
SCHEMBL13100002 0.77 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1HSD17B10MAPT
SCHEMBL6703577 0.76 HSD17B10 (0.48) CCR2KDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL14487798 0.70 ATM (0.52) KDM4ESMN1; SMN2ALDH1A1HSD17B10HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed